SCHEMBL305393

SCHEMBL305393

Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
TDP1 Q9NUW8 3/20 0.67
TSHR P16473 3/20 0.67
HSD17B10 Q99714 2/20 0.67
CYP3A4 P08684 2/20 0.62
NPBWR1 P48145 1/20 0.55
VCAM1 P19320 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
NHERF1 O14745 1/20 0.52
RORC P51449 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACHE P22303 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MCL1 Q07820 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Ammonia Solution, Strong SCHEMBL28168781 0.98 ALDH1A1 (0.64) ALDH1A1TDP1TSHRHSD17B10CYP3A4
Hydrogen Sulfide SCHEMBL28268108 0.98 ALDH1A1 (0.64) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL29739558 0.83 ALDH1A1 (0.67) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL431298 0.83 ALDH1A1 (0.67) ALDH1A1TDP1TSHRHSD17B10CYP3A4
Water SCHEMBL28737072 0.82 ALDH1A1 (0.64) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL7356876 0.81 ALDH1A1 (0.69) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL4870825 0.81 HSD17B10 (0.69) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL16904077 0.81 KMT2A (0.53) ALDH1A1TDP1TSHRHSD17B10NPBWR1
SCHEMBL16904073 0.81 MAPT (0.53) ALDH1A1TDP1TSHRHSD17B10CYP3A4
SCHEMBL85918 0.80 HSD17B10 (1.00) ALDH1A1TDP1TSHRHSD17B10VCAM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 424 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118995023-A Preparation method and application of environment-friendly PEBA popcorn material treating agent 南宝树脂(佛山)有限公司 2024-11-22 CN claimed
CN-117229151-A Method for preparing 4-chloro-3-methylaniline by catalytic hydrogenation 老河口华辰化学有限公司 2023-12-15 CN claimed
CN-114644743-B Preparation process of low-temperature fast curing phenolic resin 浙江安益新材料有限公司 2022-12-02 CN claimed
CN-114644743-A Preparation process of low-temperature fast curing phenolic resin 浙江安益新材料有限公司 2022-06-21 CN claimed
CN-111018801-B Preparation method of anticoccidial veterinary drug cimetiril 山东国邦药业有限公司 2022-01-07 CN claimed
CN-109265351-B Preparation method of 2-chloro-5-nitro-toluene 沈阳化工研究院有限公司 2021-10-01 CN claimed
CN-110054894-B Bio-based polyimide film and preparation method and application thereof 东华大学 2021-07-02 CN claimed
CN-111018801-A Preparation method of anticoccidial veterinary drug cimetiril 山东国邦药业有限公司 2020-04-17 CN claimed
CN-110054894-A Bio-based polyimide film and preparation method and application thereof 东华大学 2019-07-26 CN claimed
CN-106496558-B One kind can response type poly (arylene ether nitrile) imide resin and preparation method thereof 沈阳航空航天大学 2019-03-08 CN claimed
CN-1517333-A Method for preparing nitrodiphenylamine 2004-08-04 CN claimed
US-20040143138-A1 Process for the preparation of nitrodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 US claimed
US-20040143139-A1 Process for the production of aminodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 US claimed
US-6235937-B1 Process for the preparation of nitrodiphenylamines BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 US claimed
CN-1287116-A Process for producing nitrodiphenyl amines BAYER AG (DE) 2001-03-14 CN claimed
EP-0083924-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-5 NITROTOLUENE HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP claimed
EP-0077537-B1 PROCESS FOR PREPARING 6-CHLORO-3-TOLUIDINO-4-SULPHONIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1985-10-02 EP claimed
US-4443630-A Process for preparing 2-amino-5-nitrotoluene HOECHST AKTIENGESELLSCHAFT (DE) 1984-04-17 US claimed
EP-0083924-A2 Process for the preparation of 2-amino-5 nitrotoluene HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-20 EP claimed
EP-0077537-A2 Process for preparing 6-chloro-3-toluidino-4-sulphonic acid HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040143139-A1 Process for the production of aminodiphenylamines NUDT1, ITPA, NAAA ALDH1A1 693/4885TDP1 1936/4885TSHR 4313/4885
US-20040143138-A1 Process for the preparation of nitrodiphenylamines HNMT, PNMT, NNMT ALDH1A1 998/4885TDP1 697/4885TSHR 3435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.